Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36250
Syringe Reactant:
BDBM36249
Meas. Tech.:
ITC
Entry Date.:
12/08/10
ΔG°:
-18.2±0.08 (kJ/mole)
pH:
7±0
Log10Kb:
1.6
Temperature:
303.25±0 (K)
ΔH° :
-18.51±0.02 (kJ/mole)
ΔS° :
-0.0006±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Carrazana, J; Jover, A; Meijide, F; Soto, VH; Vazquez Tato, J Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives. J Phys Chem B 109:9719-26 (2005) [PubMed]  Article
Cell React
Name:
BDBM36250
Synonyms:
3-NH2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H71NO34
Mol. Mass.:
1133.9994
SMILES:
N[C@@H]1[C@@H](O)[C@@H]2O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O2)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36249
Synonyms:
1-Adamantanemethanol
Type:
Guest
Emp. Form.:
C11H18O
Mol. Mass.:
166.26
SMILES:
OCC12CC3CC(CC(C3)C1)C2 |TLB:9:4:11:8.7.10,9:8:11:5.4.3,THB:7:6:9.8.10:3,7:8:11.6.5:3|
Structure:
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